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1XL
FEATURES
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NAMES
  • 1XL
SMILES
O=c1nc2n(CC(O)C(O)C(O)CO)cc(CO)nc-2c(=O)[nH]1
InChI
InChI=1S/C12H16N4O7/c17-3-5-1-16(2-6(19)9(21)7(20)4-18)10-8(13-5)11(22)15-12(23)14-10/h1,6-7,9,17-21H,2-4H2,(H,15,22,23)/t6-,7-,9+/m1/s1
MOLECULAR FORMULA
C12H16N4O7
CROSS REFERENCES
  • UniChem: 68940335
  • canSAR: 1148353
  • PDBe (Protein Data Bank Europe): 1XL
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1XL

Compound Synopsis

OVERVIEW
PROPERTIES
Molecular weight 328.10
AlogP -4.00
HBond donors 6
HBond acceptors 11
Atoms 39
Contains toxicophore No
Contains PAINS No
Commercially available Unknown
Property color indications are based on Lipinski's Ro5.
PROTEIN TARGETS
No information about proteins targeted by 1XL.